(2-acetyloxy-3,4-dinitro-phenanthren-1-yl) ethanoate

Systemtic Name: (2-acetyloxy-3,4-dinitro-phenanthren-1-yl) ethanoate Openeye Name: (2-acetoxy-3,4-dinitro-1-phenanthryl) acetate CAS Name: acetic acid (2-acetyloxy-3,4-dinitro-1-phenanthrenyl) ester IUPAC Name: (2-acetyloxy-3,4-dinitrophenanthren-1-yl) acetate Traditional Name: acetic acid (2-acetoxy-3,4-dinitro-1-phenanthryl) ester Formula: C18H12N2O8 MolecularWeight: 384.29648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C2=C1C=CC3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C(=C(C2=C1C=CC3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C18H12N2O8/c1-9(21)27-17-13-8-7-11-5-3-4-6-12(11)14(13)15(19(23)24)16(20(25)26)18(17)28-10(2)22/h3-8H,1-2H3